4-(3,3-dimethylbut-1-ynyl)-5-(2-phenylethynyl)-1H-pyrazole

Systemtic Name: 4-(3,3-dimethylbut-1-ynyl)-5-(2-phenylethynyl)-1H-pyrazole Openeye Name: 4-(3,3-dimethylbut-1-ynyl)-5-(2-phenylethynyl)-1H-pyrazole CAS Name: 4-(3,3-dimethylbut-1-ynyl)-5-(2-phenylethynyl)-1H-pyrazole IUPAC Name: 4-(3,3-dimethylbut-1-ynyl)-5-(2-phenylethynyl)-1H-pyrazole Traditional Name: 4-(3,3-dimethylbut-1-ynyl)-5-(2-phenylethynyl)-1H-pyrazole Formula: C17H16N2 MolecularWeight: 248.32234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=C(NN=C1)C#CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C#CC1=C(NN=C1)C#CC2=CC=CC=C2

InChI

InChI=1S/C17H16N2/c1-17(2,3)12-11-15-13-18-19-16(15)10-9-14-7-5-4-6-8-14/h4-8,13H,1-3H3,(H,18,19)